Cas no 20279-51-0 (Propanoic acid,2-hydroxy-, hexyl ester)
20279-51-0 structure
Product Name:Propanoic acid,2-hydroxy-, hexyl ester
CAS No:20279-51-0
MF:C9H18O3
MW:174.237423419952
CID:273207
PubChem ID:519757
Update Time:2025-04-19
Propanoic acid,2-hydroxy-, hexyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,2-hydroxy-, hexyl ester
- hexyl 2-hydroxypropanoate
- HEXYL LACTATE
- EINECS 243-676-4
- Hexyl-lactat
- KDPXOGYCOOUWOS-UHFFFAOYSA
- lactic acid hexyl ester
- Milchsaeure-hexylester
- n-hexyl lactate
- NS00051257
- ETHANOL, 2-BUTOXY-, LACTATE
- KDPXOGYCOOUWOS-UHFFFAOYSA-
- Hexyl DL-lactate
- DTXSID90864931
- Q27894346
- U5BDB081FM
- KDPXOGYCOOUWOS-UHFFFAOYSA-N
- Propanoic acid, 2-hydroxy-, hexyl ester
- SCHEMBL505594
- UNII-U5BDB081FM
- AI3-00590
- LACTIC ACID, HEXYL ESTER
- AKOS006272819
- 20279-51-0
- FT-0627053
- Milchsaure-n-hexyl-ester
- InChI=1/C9H18O3/c1-3-4-5-6-7-12-9(11)8(2)10/h8,10H,3-7H2,1-2H3
-
- Inchi： 1S/C9H18O3/c1-3-4-5-6-7-12-9(11)8(2)10/h8,10H,3-7H2,1-2H3
- InChI Key： KDPXOGYCOOUWOS-UHFFFAOYSA-N
- SMILES： O(C(C(C)O)=O)CCCCCC
Computed Properties
- Exact Mass: 174.12600
- Monoisotopic Mass: 174.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 7
- Complexity: 123
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- Density: 1.0069 (rough estimate)
- Boiling Point: 245.22°C (rough estimate)
- Refractive Index: 1.4300 (estimate)
- PSA: 46.53000
- LogP: 1.49070
Propanoic acid,2-hydroxy-, hexyl ester Related Literature
-
1. LXXI.—Rotatory dispersion of the esters of lactic acid. Part I. Normal estersCharles Edmund Wood,John Edward Such,Frank Scarf J. Chem. Soc. Trans. 1923 123 600
-
Alexey Bobrovsky,Valery Shibaev,Martin Cigl,V?ra Hamplová,Franti?ek Hampl,Galina Elyashevitch J. Mater. Chem. C 2014 2 4482
-
Christopher P. J. Schubert,Carsten Müller,Andreas Bogner,Frank Giesselmann,Robert P. Lemieux Soft Matter 2017 13 3307
20279-51-0 (Propanoic acid,2-hydroxy-, hexyl ester) Related Products
- 1323-03-1(Tetradecyl lactate)
- 34451-19-9(n-Butyl L-Lactate)
- 132513-51-0((S)-Butyl 2-hydroxybutanoate)
- 19329-89-6(Propanoic acid,2-hydroxy-, 3-methylbutyl ester)
- 35274-05-6(Cetyl lactate)
- 138-22-7(n-Butyl Lactate)
- 186817-80-1((2S)-2-Ethylhexyl 2-hydroxypropanoate)
- 35230-14-9(Propanoic acid,2-hydroxy-, octadecyl ester)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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